Chemical ID: 5746945

c1ccc(cc1)c2csc(n2)SCC(=O)Nc3cc(ccc3C#N)Cl
Chemical ID:
5746945
Name [?]:
N-(5-chloro-2-cyano-phenyl)-2-(4-phenylthiazol-2-yl)sulfanyl-acetamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)SCC(=O)Nc3cc(ccc3C#N)Cl
InChi [?]:
InChI=1/C18H12ClN3OS2/c19-14-7-6-13(9-20)15(8-14)21-17(23)11-25-18-22-16(10-24-18)12-4-2-1-3-5-12/h1-8,10H,11H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,21,20,18,23,8,13,4,22,19,17,7,14,10,25,24,16,11,15,9,12/E:(2,3)(4,5)/rA:25nCCCCCCCCSCNSCCONCCCCCCCNCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;t23;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12ClN3OS2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.0308
Area:609.75
Solvation:-3.21293
Coulombic:-31.5472
Bond Count [?]
All:27
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:385.892
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.48
LogP (Chemaxon):5.14

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